#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fhm n LEU 2 N 0.00 0.00 -3.86 -0.89 7.94 -0.81 -4.85 117.00 114.53 2fhm n LEU 2 Ca 0.00 -2.11 -0.11 0.00 -1.11 0.00 0.00 56.01 52.68 2fhm n LEU 2 Cb 0.00 1.77 -0.09 0.00 0.53 0.00 0.00 43.42 45.63 2fhm n LEU 2 CO 0.00 -0.46 -0.14 -1.58 -1.11 0.00 0.00 177.39 174.10 2fhm s GLN 3 N -2.63 0.59 0.31 1.96 0.74 0.42 -0.92 119.66 120.12 2fhm s GLN 3 Ca 0.22 -0.53 0.08 0.00 0.05 0.00 0.00 55.36 55.18 2fhm s GLN 3 Cb -0.00 0.24 -0.03 0.00 1.10 0.00 0.00 33.01 34.32 2fhm s GLN 3 CO 0.16 -0.16 0.23 1.52 -0.55 0.00 0.00 175.29 176.49 2fhm s TYR 4 N -2.02 2.90 -0.03 1.67 -0.85 -0.48 -1.15 117.35 117.38 2fhm s TYR 4 Ca -0.09 -0.27 0.01 0.00 -0.52 0.00 0.00 57.07 56.19 2fhm s TYR 4 Cb -0.04 -1.65 0.02 0.00 0.38 0.00 0.00 41.96 40.67 2fhm s TYR 4 CO -0.01 0.31 -0.03 1.03 -1.52 0.00 0.00 175.55 175.33 2fhm s ARG 5 N -3.92 0.55 -0.00 -3.49 0.52 0.10 -3.09 118.95 109.63 2fhm s ARG 5 Ca 0.38 -0.04 0.01 0.00 -0.52 0.00 0.00 55.73 55.57 2fhm s ARG 5 Cb -0.06 -0.63 -0.00 0.00 0.52 0.00 0.00 34.95 34.78 2fhm s ARG 5 CO 0.25 -0.08 -0.05 0.42 0.02 0.00 0.00 175.30 175.86 2fhm s ILE 6 N 0.82 0.39 -0.05 1.52 1.01 -0.27 -0.65 121.20 123.97 2fhm s ILE 6 Ca -0.10 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.39 2fhm s ILE 6 Cb -0.13 -0.33 -0.00 0.00 0.01 0.00 0.00 42.46 42.01 2fhm s ILE 6 CO -0.01 0.11 -0.17 -0.63 0.00 0.00 0.00 174.94 174.25 2fhm s ILE 7 N -0.08 1.40 0.03 2.92 -1.09 -0.54 -0.86 121.20 122.98 2fhm s ILE 7 Ca 0.01 -0.69 -0.01 0.00 -2.23 0.00 0.00 60.65 57.74 2fhm s ILE 7 Cb -0.02 -1.21 -0.02 0.00 -1.58 0.00 0.00 42.46 39.62 2fhm s ILE 7 CO -0.00 0.41 -0.02 0.68 -1.23 0.00 0.00 174.94 174.78 2fhm s VAL 8 N 0.14 0.14 0.01 2.92 -7.23 -0.25 -0.86 120.40 115.27 2fhm s VAL 8 Ca -0.06 -1.18 -0.09 0.00 -1.81 0.00 0.00 61.98 58.84 2fhm s VAL 8 Cb -0.12 -0.67 0.01 0.00 0.56 0.00 0.00 36.38 36.16 2fhm s VAL 8 CO 0.03 -0.65 0.19 -0.62 -0.31 0.00 0.00 175.10 173.74 2fhm s ASP 9 N -1.92 -0.02 0.00 4.85 -1.08 -0.64 -1.31 116.67 116.56 2fhm s ASP 9 Ca -0.09 -0.19 0.00 0.00 -0.52 0.00 0.00 52.55 51.75 2fhm s ASP 9 Cb -0.04 0.25 0.00 0.00 -1.46 0.00 0.00 42.92 41.67 2fhm s ASP 9 CO -0.04 -0.44 0.00 0.61 0.52 0.00 0.00 175.17 175.82 2fhm n GLY 10 N 1.19 0.48 2.34 2.66 0.00 -1.26 -0.39 105.19 110.21 2fhm n GLY 10 Ca -0.21 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 2fhm n GLY 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2fhm n ARG 11 N 0.00 3.06 0.04 1.61 0.63 -0.34 -4.42 116.66 117.24 2fhm n ARG 11 Ca 0.00 -1.84 0.13 0.00 -0.92 0.00 0.00 57.85 55.22 2fhm n ARG 11 Cb 0.00 -2.60 0.34 0.00 0.45 0.00 0.00 32.46 30.65 2fhm n ARG 11 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2fhm n VAL 12 N 3.57 0.25 -4.52 5.15 0.24 -1.17 -1.24 118.33 120.62 2fhm n VAL 12 Ca 0.65 -0.16 -0.24 0.00 -2.04 0.00 0.00 64.34 62.55 2fhm n VAL 12 Cb 0.29 -0.23 -0.14 0.00 -1.47 0.00 0.00 33.84 32.30 2fhm n VAL 12 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2fhm s GLN 13 N -3.08 1.27 0.00 7.34 -1.52 -1.26 -3.99 119.66 118.42 2fhm s GLN 13 Ca 0.10 -0.98 0.00 0.00 -1.95 0.00 0.00 55.36 52.53 2fhm s GLN 13 Cb 0.15 -1.41 0.00 0.00 -0.22 0.00 0.00 33.01 31.53 2fhm s GLN 13 CO 0.65 0.35 0.00 0.41 -0.25 0.00 0.00 175.29 176.45 2fhm n GLY 14 N 1.65 -0.06 0.34 3.09 0.00 -1.26 -4.95 105.19 103.99 2fhm n GLY 14 Ca -0.18 -1.46 0.18 0.00 0.00 0.00 0.00 46.02 44.57 2fhm n GLY 14 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2fhm h VAL 15 N 0.00 0.26 -0.02 1.61 -1.51 -1.95 0.14 116.25 114.78 2fhm h VAL 15 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2fhm h VAL 15 Cb 0.00 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.01 2fhm h VAL 15 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2fhm n GLY 16 N -1.28 -0.54 2.81 5.19 0.00 -1.26 -4.96 105.19 105.15 2fhm n GLY 16 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 2fhm n GLY 16 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2fhm n PHE 17 N -0.45 -0.07 -0.11 1.61 3.72 0.03 -1.14 117.46 121.06 2fhm n PHE 17 Ca 0.20 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.63 2fhm n PHE 17 Cb 0.21 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 2fhm n PHE 17 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2fhm n ARG 18 N -1.19 0.00 0.28 -1.08 1.85 -1.26 -4.70 116.66 110.57 2fhm n ARG 18 Ca -0.02 0.00 0.16 0.00 -1.00 0.00 0.00 57.85 57.00 2fhm n ARG 18 Cb 0.04 -1.75 0.80 0.00 -1.05 0.00 0.00 32.46 30.50 2fhm n ARG 18 CO 0.00 0.00 0.00 0.10 -0.01 0.00 0.00 177.63 177.72 2fhm h TYR 19 N 0.00 0.00 -0.29 2.89 -0.00 -1.52 -3.18 116.97 114.87 2fhm h TYR 19 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 58.73 58.78 2fhm h TYR 19 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 36.68 2fhm h TYR 19 CO 0.00 0.06 -0.03 0.27 -0.00 0.00 0.00 178.16 178.46 2fhm h PHE 20 N 0.00 -0.08 -0.30 0.10 -0.00 -1.55 0.85 116.94 115.97 2fhm h PHE 20 Ca -0.00 0.02 -0.04 0.00 -0.00 0.00 0.00 57.97 57.95 2fhm h PHE 20 Cb 0.37 0.08 -0.02 0.00 -0.00 0.00 0.00 35.95 36.38 2fhm h PHE 20 CO 0.00 -0.08 0.02 -0.39 -0.00 0.00 0.00 178.31 177.85 2fhm h VAL 21 N 0.05 1.17 0.00 0.88 -1.51 -1.85 -1.64 116.25 113.35 2fhm h VAL 21 Ca 0.14 -0.65 -0.08 0.00 -1.23 0.00 0.00 66.70 64.87 2fhm h VAL 21 Cb 0.20 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.28 2fhm h VAL 21 CO -0.26 0.22 -0.40 1.56 -1.23 0.00 0.00 177.57 177.46 2fhm h GLN 22 N 0.43 0.00 -0.18 5.19 1.08 -1.13 0.37 115.11 120.87 2fhm h GLN 22 Ca 0.10 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 2fhm h GLN 22 Cb 0.26 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2fhm h GLN 22 CO 0.01 0.40 0.02 0.52 -0.95 0.00 0.00 178.83 178.83 2fhm h MET 23 N 0.00 0.30 0.00 1.46 2.86 -0.30 -1.43 114.93 117.82 2fhm h MET 23 Ca -0.00 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 2fhm h MET 23 Cb 0.98 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 2fhm h MET 23 CO 0.05 0.47 -0.24 0.93 1.06 0.00 0.00 176.91 179.18 2fhm h GLU 24 N 0.09 0.00 -0.07 1.72 4.39 -0.55 -0.51 114.58 119.64 2fhm h GLU 24 Ca 0.05 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2fhm h GLU 24 Cb 0.32 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2fhm h GLU 24 CO 0.00 0.24 -0.04 0.00 -1.16 0.00 0.00 179.01 178.06 2fhm h ALA 25 N 1.76 0.10 -0.82 3.43 0.00 -0.19 -2.92 119.26 120.63 2fhm h ALA 25 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2fhm h ALA 25 Cb 0.49 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2fhm h ALA 25 CO 0.03 -0.14 0.48 0.22 0.00 0.00 0.00 179.25 179.83 2fhm h ASP 26 N -0.22 0.99 0.00 0.00 3.58 -0.83 0.12 116.42 120.06 2fhm h ASP 26 Ca 0.02 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2fhm h ASP 26 Cb 0.48 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2fhm h ASP 26 CO 0.01 0.78 0.00 0.50 -2.88 0.00 0.00 179.24 177.65 2fhm h LYS 27 N 1.13 0.00 -0.11 0.28 3.11 -1.05 -0.25 116.57 119.68 2fhm h LYS 27 Ca 0.29 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.13 2fhm h LYS 27 Cb -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 2fhm h LYS 27 CO -0.05 0.00 0.00 0.54 -2.81 0.00 0.00 179.45 177.13 2fhm n ARG 28 N -2.60 2.82 -4.38 1.90 5.12 -0.27 -5.00 116.66 114.25 2fhm n ARG 28 Ca -0.02 -1.81 -0.40 0.00 -1.93 0.00 0.00 57.85 53.69 2fhm n ARG 28 Cb 0.05 -1.16 -0.06 0.00 -1.16 0.00 0.00 32.46 30.13 2fhm n ARG 28 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2fhm n LYS 29 N -0.28 -1.34 -1.40 5.56 4.76 -0.11 -4.92 118.16 120.43 2fhm n LYS 29 Ca 0.06 0.19 -0.30 0.00 -2.87 0.00 0.00 58.31 55.38 2fhm n LYS 29 Cb 0.36 -4.80 0.11 0.00 -1.84 0.00 0.00 35.03 28.86 2fhm n LYS 29 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2fhm s LEU 30 N -7.15 2.46 -0.06 -0.35 1.43 -0.28 -4.98 118.68 109.74 2fhm s LEU 30 Ca 0.78 1.39 -0.04 0.00 -1.03 0.00 0.00 54.13 55.23 2fhm s LEU 30 Cb -0.45 -3.92 0.03 0.00 0.03 0.00 0.00 46.19 41.88 2fhm s LEU 30 CO 0.96 -2.26 0.14 0.00 0.23 0.00 0.00 176.35 175.42 2fhm s ALA 31 N -3.06 -0.31 0.00 4.21 0.00 -1.15 -4.55 121.76 116.91 2fhm s ALA 31 Ca 0.62 0.53 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2fhm s ALA 31 Cb -0.16 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2fhm s ALA 31 CO 0.55 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.62 2fhm n GLY 32 N 3.57 -1.16 3.15 0.00 0.00 -0.49 -0.75 105.19 109.51 2fhm n GLY 32 Ca -0.19 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 2fhm n GLY 32 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2fhm s TRP 33 N -3.00 0.81 0.01 1.61 -2.14 0.26 -0.62 118.94 115.86 2fhm s TRP 33 Ca 0.00 -0.93 0.03 0.00 2.66 0.00 0.00 56.10 57.87 2fhm s TRP 33 Cb 0.00 -0.49 -0.01 0.00 -3.10 0.00 0.00 33.47 29.87 2fhm s TRP 33 CO 0.00 -0.19 -0.11 0.54 -2.66 0.00 0.00 176.95 174.53 2fhm s VAL 34 N -3.58 0.85 0.03 -0.66 0.11 -0.53 -1.57 120.40 115.04 2fhm s VAL 34 Ca 0.10 -0.60 -0.03 0.00 -2.93 0.00 0.00 61.98 58.52 2fhm s VAL 34 Cb 0.05 -0.74 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 2fhm s VAL 34 CO -0.06 0.14 0.03 -0.75 -3.33 0.00 0.00 175.10 171.13 2fhm s LYS 35 N -0.53 0.48 -0.21 1.54 2.20 -0.12 -0.99 119.74 122.11 2fhm s LYS 35 Ca 0.02 -0.73 -0.06 0.00 -0.36 0.00 0.00 55.97 54.84 2fhm s LYS 35 Cb -0.05 0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.42 2fhm s LYS 35 CO 0.00 -0.10 0.03 1.21 -0.36 0.00 0.00 175.35 176.13 2fhm s ASN 36 N -1.92 5.12 0.24 1.43 3.04 -1.26 -1.03 114.94 120.57 2fhm s ASN 36 Ca -0.08 -0.12 -0.19 0.00 0.04 0.00 0.00 52.86 52.50 2fhm s ASN 36 Cb -0.04 -1.89 -0.08 0.00 -1.54 0.00 0.00 41.25 37.70 2fhm s ASN 36 CO -0.03 0.07 0.74 -0.13 -3.04 0.00 0.00 177.10 174.71 2fhm s ARG 37 N 0.95 4.24 0.52 0.43 0.52 0.15 -4.97 118.95 120.78 2fhm s ARG 37 Ca 0.03 0.87 0.17 0.00 -0.52 0.00 0.00 55.73 56.28 2fhm s ARG 37 Cb -0.14 -2.81 1.29 0.00 0.52 0.00 0.00 34.95 33.81 2fhm s ARG 37 CO 0.02 0.35 2.14 0.22 0.02 0.00 0.00 175.30 178.05 2fhm h ASP 38 N 3.23 0.00 0.49 0.23 3.58 -1.99 -1.28 116.42 120.69 2fhm h ASP 38 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2fhm h ASP 38 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2fhm h ASP 38 CO 0.65 0.03 0.00 -0.90 -2.88 0.00 0.00 179.24 176.14 2fhm n ASP 39 N -4.43 0.00 -0.06 2.28 5.75 -1.26 -4.88 116.55 113.95 2fhm n ASP 39 Ca -0.03 0.37 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 2fhm n ASP 39 Cb 0.11 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 2fhm n ASP 39 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2fhm n GLY 40 N 0.18 0.70 3.31 6.12 0.00 -0.48 -5.13 105.19 109.88 2fhm n GLY 40 Ca 0.05 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 2fhm n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fhm s ARG 41 N 0.23 1.50 0.02 1.61 3.00 -1.23 -4.96 118.95 119.12 2fhm s ARG 41 Ca 0.00 -1.84 0.07 0.00 0.00 0.00 0.00 55.73 53.96 2fhm s ARG 41 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 34.95 34.87 2fhm s ARG 41 CO 0.00 -0.42 -0.18 0.08 0.00 0.00 0.00 175.30 174.78 2fhm s VAL 42 N -3.72 2.77 -0.01 3.52 1.01 -0.43 -0.68 120.40 122.86 2fhm s VAL 42 Ca 0.37 -1.12 0.05 0.00 0.00 0.00 0.00 61.98 61.29 2fhm s VAL 42 Cb 0.06 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2fhm s VAL 42 CO 0.16 0.39 -0.17 -0.70 0.00 0.00 0.00 175.10 174.78 2fhm s GLU 43 N -1.28 1.39 -0.00 2.72 2.12 -0.19 -1.09 118.70 122.37 2fhm s GLU 43 Ca 0.14 -0.64 0.02 0.00 0.36 0.00 0.00 54.97 54.85 2fhm s GLU 43 Cb -0.10 -1.35 -0.01 0.00 0.26 0.00 0.00 34.13 32.92 2fhm s GLU 43 CO 0.04 0.37 -0.07 0.42 -0.54 0.00 0.00 175.26 175.48 2fhm s ILE 44 N -0.43 0.54 -0.11 -3.70 1.01 -0.04 -0.95 121.20 117.53 2fhm s ILE 44 Ca 0.07 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 2fhm s ILE 44 Cb -0.07 -0.47 0.05 0.00 0.01 0.00 0.00 42.46 41.98 2fhm s ILE 44 CO -0.01 0.12 0.25 -0.22 0.00 0.00 0.00 174.94 175.08 2fhm s LEU 45 N -0.26 0.24 -0.03 2.97 0.20 -0.61 -1.11 118.68 120.07 2fhm s LEU 45 Ca 0.02 0.55 -0.16 0.00 0.69 0.00 0.00 54.13 55.23 2fhm s LEU 45 Cb -0.03 0.74 0.03 0.00 -0.43 0.00 0.00 46.19 46.49 2fhm s LEU 45 CO -0.00 -0.18 0.34 0.00 -0.29 0.00 0.00 176.35 176.22 2fhm s ALA 46 N 1.53 -0.87 0.35 5.97 0.00 -1.18 -0.57 121.76 126.99 2fhm s ALA 46 Ca -0.07 0.45 -0.09 0.00 0.00 0.00 0.00 51.96 52.25 2fhm s ALA 46 Cb -0.11 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.97 2fhm s ALA 46 CO -0.09 -0.26 0.68 -1.83 0.00 0.00 0.00 175.76 174.27 2fhm s GLU 47 N -1.21 3.76 0.00 0.00 -1.05 0.07 -1.38 118.70 118.89 2fhm s GLU 47 Ca -0.12 0.34 0.00 0.00 -0.15 0.00 0.00 54.97 55.04 2fhm s GLU 47 Cb -0.05 -2.49 0.00 0.00 -0.44 0.00 0.00 34.13 31.15 2fhm s GLU 47 CO 0.04 0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.75 2fhm n GLY 48 N -0.99 0.45 3.78 -3.83 0.00 -0.10 -2.92 105.19 101.59 2fhm n GLY 48 Ca 0.01 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 2fhm n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2fhm s PRO 49 N -2.00 3.17 0.24 1.61 0.04 -1.26 -1.93 135.00 134.87 2fhm s PRO 49 Ca 0.00 1.38 -0.05 0.00 0.04 0.00 0.00 61.00 62.37 2fhm s PRO 49 Cb 0.00 -2.00 0.37 0.00 0.04 0.00 0.00 34.50 32.91 2fhm s PRO 49 CO 0.00 -0.96 1.82 1.49 0.04 0.00 0.00 177.00 179.39 2fhm h GLU 50 N 0.54 0.81 -0.76 4.56 4.81 -1.96 -0.93 114.58 121.64 2fhm h GLU 50 Ca -0.48 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 2fhm h GLU 50 Cb 1.24 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 2fhm h GLU 50 CO 0.56 0.54 0.37 -0.97 -0.73 0.00 0.00 179.01 178.77 2fhm h ASN 51 N 0.83 1.00 -0.27 1.04 -0.73 -1.99 0.01 115.58 115.49 2fhm h ASN 51 Ca 0.38 -0.13 -0.06 0.00 1.87 0.00 0.00 56.30 58.36 2fhm h ASN 51 Cb 0.30 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 2fhm h ASN 51 CO -0.22 0.85 -0.06 0.00 -0.37 0.00 0.00 177.43 177.63 2fhm h ALA 52 N 1.19 0.37 -0.44 1.57 0.00 -1.61 -0.45 119.26 119.89 2fhm h ALA 52 Ca 0.26 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2fhm h ALA 52 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2fhm h ALA 52 CO -0.03 0.17 0.26 -0.07 0.00 0.00 0.00 179.25 179.58 2fhm h LEU 53 N 0.26 0.53 -0.41 0.00 3.38 -0.97 -0.81 115.31 117.29 2fhm h LEU 53 Ca 0.07 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 2fhm h LEU 53 Cb 0.53 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2fhm h LEU 53 CO 0.03 0.44 -0.38 1.56 0.09 0.00 0.00 178.44 180.17 2fhm h GLN 54 N 0.58 0.93 -0.78 1.13 1.08 -0.96 -1.24 115.11 115.84 2fhm h GLN 54 Ca 0.16 -0.48 -0.01 0.00 -1.45 0.00 0.00 58.65 56.87 2fhm h GLN 54 Cb 0.01 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 2fhm h GLN 54 CO -0.03 1.14 0.46 0.77 -0.95 0.00 0.00 178.83 180.22 2fhm h SER 55 N 0.76 0.95 -0.30 1.46 0.02 -0.87 -1.21 113.55 114.35 2fhm h SER 55 Ca 0.06 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2fhm h SER 55 Cb 0.97 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 2fhm h SER 55 CO 0.09 0.74 0.18 0.15 -1.14 0.00 0.00 176.83 176.85 2fhm h PHE 56 N 1.07 0.33 -0.57 3.45 3.04 -1.00 -0.98 116.94 122.29 2fhm h PHE 56 Ca 0.28 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.32 2fhm h PHE 56 Cb -0.02 -0.11 -0.06 0.00 2.56 0.00 0.00 35.95 38.32 2fhm h PHE 56 CO -0.00 0.20 0.23 0.28 -2.02 0.00 0.00 178.31 176.99 2fhm h VAL 57 N 0.36 0.83 -0.81 1.41 2.07 -0.47 -0.53 116.25 119.11 2fhm h VAL 57 Ca 0.12 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2fhm h VAL 57 Cb -0.01 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 2fhm h VAL 57 CO -0.05 0.08 0.42 -0.33 0.02 0.00 0.00 177.57 177.71 2fhm h GLU 58 N 0.43 1.15 -0.29 1.57 5.08 -0.95 -0.18 114.58 121.38 2fhm h GLU 58 Ca 0.27 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2fhm h GLU 58 Cb 0.29 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2fhm h GLU 58 CO -0.26 0.86 0.13 0.00 -1.00 0.00 0.00 179.01 178.74 2fhm h ALA 59 N 1.32 0.37 -0.13 3.43 0.00 0.22 0.57 119.26 125.05 2fhm h ALA 59 Ca 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2fhm h ALA 59 Cb 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2fhm h ALA 59 CO -0.04 -0.05 0.01 0.28 0.00 0.00 0.00 179.25 179.45 2fhm h VAL 60 N 0.33 1.23 -0.99 0.00 2.07 -0.95 -2.99 116.25 114.95 2fhm h VAL 60 Ca 0.10 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.89 2fhm h VAL 60 Cb 0.14 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 2fhm h VAL 60 CO -0.01 0.22 0.65 0.50 0.02 0.00 0.00 177.57 178.95 2fhm h LYS 61 N -0.03 1.29 0.00 1.57 3.64 -0.84 -0.25 116.57 121.96 2fhm h LYS 61 Ca 0.04 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2fhm h LYS 61 Cb 0.32 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2fhm h LYS 61 CO 0.00 0.86 -0.15 -0.97 -2.27 0.00 0.00 179.45 176.92 2fhm h ASN 62 N 1.33 0.00 -5.82 4.20 -1.24 -0.89 -3.44 115.58 109.73 2fhm h ASN 62 Ca 0.36 0.00 -0.38 0.00 0.71 0.00 0.00 56.30 56.99 2fhm h ASN 62 Cb -0.15 0.00 0.14 0.00 0.73 0.00 0.00 38.32 39.03 2fhm h ASN 62 CO -0.08 0.15 -0.72 0.61 -1.29 0.00 0.00 177.43 176.10 2fhm n GLY 63 N -0.48 -0.47 0.18 1.57 0.00 -0.10 -4.94 105.19 100.95 2fhm n GLY 63 Ca -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 2fhm n GLY 63 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2fhm h SER 64 N -2.35 0.02 -2.10 1.61 0.02 -1.78 -3.44 113.55 105.53 2fhm h SER 64 Ca -0.58 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2fhm h SER 64 Cb 1.36 0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.00 2fhm h SER 64 CO 0.55 0.04 0.00 -0.81 -1.14 0.00 0.00 176.83 175.47 2fhm n PRO 65 N -5.10 0.24 0.00 3.45 -0.04 -1.26 -4.93 135.00 127.37 2fhm n PRO 65 Ca 0.04 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.51 2fhm n PRO 65 Cb 0.21 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.72 2fhm n PRO 65 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2fhm n PHE 66 N -1.69 0.00 -4.47 0.54 1.16 -1.26 -4.61 117.46 107.13 2fhm n PHE 66 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.37 2fhm n PHE 66 Cb 0.00 -0.14 -0.14 0.00 -1.61 0.00 0.00 39.48 37.59 2fhm n PHE 66 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2fhm s SER 67 N -2.29 1.69 0.20 5.98 0.01 -1.26 -4.76 113.70 113.27 2fhm s SER 67 Ca 0.02 -0.39 -0.19 0.00 1.31 0.00 0.00 55.95 56.71 2fhm s SER 67 Cb 0.01 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.14 2fhm s SER 67 CO 0.02 0.09 0.57 -1.59 0.41 0.00 0.00 173.24 172.74 2fhm s LYS 68 N -0.85 1.43 0.23 12.44 0.00 -0.38 -4.48 119.74 128.13 2fhm s LYS 68 Ca 0.03 -0.82 0.07 0.00 0.00 0.00 0.00 55.97 55.25 2fhm s LYS 68 Cb -0.07 0.55 -0.04 0.00 0.00 0.00 0.00 37.83 38.27 2fhm s LYS 68 CO 0.01 -0.62 0.17 0.14 0.00 0.00 0.00 175.35 175.05 2fhm s VAL 69 N -3.86 4.38 0.00 1.79 -7.23 -1.26 -1.20 120.40 113.01 2fhm s VAL 69 Ca 0.08 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 2fhm s VAL 69 Cb -0.02 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.59 2fhm s VAL 69 CO -0.03 -0.29 0.00 0.35 -0.31 0.00 0.00 175.10 174.82 2fhm n THR 70 N -0.96 0.00 -3.76 5.32 -2.24 0.48 -4.85 114.28 108.27 2fhm n THR 70 Ca -0.08 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 2fhm n THR 70 Cb 0.57 0.90 -0.09 0.00 -2.10 0.00 0.00 70.33 69.61 2fhm n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2fhm s ASP 71 N -1.00 -0.25 -0.07 3.42 2.15 -0.80 -4.99 116.67 115.13 2fhm s ASP 71 Ca 0.00 0.29 -0.11 0.00 0.43 0.00 0.00 52.55 53.15 2fhm s ASP 71 Cb 0.00 0.44 0.02 0.00 -0.30 0.00 0.00 42.92 43.08 2fhm s ASP 71 CO 0.00 -0.35 0.28 -0.51 -0.17 0.00 0.00 175.17 174.43 2fhm s ILE 72 N -0.85 0.02 0.01 4.11 2.07 -1.26 -1.61 121.20 123.69 2fhm s ILE 72 Ca -0.09 -0.19 0.02 0.00 -1.41 0.00 0.00 60.65 58.97 2fhm s ILE 72 Cb -0.04 -0.47 -0.01 0.00 0.13 0.00 0.00 42.46 42.07 2fhm s ILE 72 CO 0.03 -0.11 -0.05 -0.44 -1.91 0.00 0.00 174.94 172.46 2fhm s SER 73 N -0.39 0.60 0.00 4.50 0.01 -0.04 -5.01 113.70 113.37 2fhm s SER 73 Ca -0.05 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2fhm s SER 73 Cb -0.03 -0.01 -0.00 0.00 0.21 0.00 0.00 66.02 66.18 2fhm s SER 73 CO 0.02 -0.06 -0.00 -0.69 0.41 0.00 0.00 173.24 172.91 2fhm s VAL 74 N -0.63 0.04 0.11 3.43 1.01 -1.26 -1.46 120.40 121.64 2fhm s VAL 74 Ca -0.04 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2fhm s VAL 74 Cb -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 36.38 36.25 2fhm s VAL 74 CO -0.00 -0.00 -0.10 -0.89 0.00 0.00 0.00 175.10 174.11 2fhm s THR 75 N -0.04 1.01 0.01 3.92 2.01 0.18 -5.01 115.64 117.71 2fhm s THR 75 Ca -0.00 -1.81 0.03 0.00 0.31 0.00 0.00 61.69 60.21 2fhm s THR 75 Cb -0.00 -1.56 -0.01 0.00 0.01 0.00 0.00 72.50 70.93 2fhm s THR 75 CO -0.00 -0.65 -0.09 -1.61 -0.69 0.00 0.00 174.62 171.58 2fhm s GLU 76 N -3.21 0.69 0.05 4.92 2.02 -1.26 -0.72 118.70 121.19 2fhm s GLU 76 Ca 0.10 -0.46 0.01 0.00 0.02 0.00 0.00 54.97 54.64 2fhm s GLU 76 Cb -0.00 -0.64 -0.03 0.00 0.10 0.00 0.00 34.13 33.55 2fhm s GLU 76 CO -0.00 0.17 -0.06 -1.12 0.02 0.00 0.00 175.26 174.26 2fhm s SER 77 N -0.61 0.80 0.14 -0.19 0.01 -0.30 -4.98 113.70 108.57 2fhm s SER 77 Ca 0.01 -0.69 0.18 0.00 1.31 0.00 0.00 55.95 56.75 2fhm s SER 77 Cb -0.05 0.07 -0.06 0.00 0.21 0.00 0.00 66.02 66.19 2fhm s SER 77 CO 0.00 -0.32 1.01 0.03 0.41 0.00 0.00 173.24 174.37 2fhm h ARG 78 N 4.03 0.00 -6.20 12.44 2.47 -1.89 0.12 114.38 125.36 2fhm h ARG 78 Ca -0.35 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 57.81 2fhm h ARG 78 Cb 1.19 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.51 2fhm h ARG 78 CO 0.49 0.27 1.30 -1.12 0.56 0.00 0.00 179.97 181.48 2fhm s SER 79 N -5.86 6.04 1.25 7.04 0.01 -1.26 -4.36 113.70 116.56 2fhm s SER 79 Ca -0.01 2.06 -0.20 0.00 1.31 0.00 0.00 55.95 59.12 2fhm s SER 79 Cb 0.08 -2.52 0.30 0.00 0.21 0.00 0.00 66.02 64.10 2fhm s SER 79 CO 0.79 -1.47 1.07 -0.76 0.41 0.00 0.00 173.24 173.28 2fhm s LEU 80 N 6.17 0.30 0.00 2.44 1.43 -1.26 -4.51 118.68 123.24 2fhm s LEU 80 Ca 0.88 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 2fhm s LEU 80 Cb -0.34 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.50 2fhm s LEU 80 CO 0.36 -4.41 0.34 -0.62 0.23 0.00 0.00 176.35 172.25 2fhm n GLU 81 N -4.96 -0.60 -2.22 1.70 -0.58 -1.26 -5.00 120.64 107.71 2fhm n GLU 81 Ca 0.13 -0.34 -0.20 0.00 -0.42 0.00 0.00 57.16 56.32 2fhm n GLU 81 Cb 0.59 -0.83 -0.03 0.00 -0.57 0.00 0.00 31.44 30.61 2fhm n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2fhm n GLY 82 N -0.01 0.03 3.89 0.62 0.00 -1.26 -4.99 105.19 103.47 2fhm n GLY 82 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2fhm n GLY 82 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fhm s HIS 83 N -2.97 3.46 -0.01 1.61 3.76 -1.26 -5.01 115.29 114.88 2fhm s HIS 83 Ca 0.00 0.61 0.01 0.00 -0.15 0.00 0.00 55.06 55.53 2fhm s HIS 83 Cb 0.00 -2.05 0.02 0.00 1.11 0.00 0.00 32.58 31.65 2fhm s HIS 83 CO 0.00 0.39 0.78 0.72 -0.85 0.00 0.00 174.74 175.78 2fhm n HIS 84 N -0.03 0.00 -3.97 1.40 8.25 -1.26 -4.80 115.22 114.81 2fhm n HIS 84 Ca -0.02 -0.08 -0.10 0.00 -0.26 0.00 0.00 57.72 57.26 2fhm n HIS 84 Cb 0.52 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.53 2fhm n HIS 84 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2fhm s ARG 85 N -0.21 1.27 0.39 -0.41 1.70 -1.26 -4.98 118.95 115.45 2fhm s ARG 85 Ca 0.02 -1.21 -0.08 0.00 -0.47 0.00 0.00 55.73 53.99 2fhm s ARG 85 Cb 0.02 0.40 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 2fhm s ARG 85 CO 0.00 -0.48 0.71 -0.59 -1.08 0.00 0.00 175.30 173.86 2fhm s PHE 86 N -3.99 3.49 0.05 5.89 -0.12 -1.26 -1.40 117.98 120.64 2fhm s PHE 86 Ca 0.20 0.88 -0.04 0.00 -0.05 0.00 0.00 56.93 57.92 2fhm s PHE 86 Cb 0.02 -2.31 -0.02 0.00 -0.63 0.00 0.00 43.02 40.08 2fhm s PHE 86 CO 0.03 -0.06 0.05 -1.12 -0.05 0.00 0.00 175.22 174.07 2fhm s SER 87 N -3.36 0.28 -0.19 1.98 0.01 0.21 -4.91 113.70 107.72 2fhm s SER 87 Ca 0.48 -0.70 -0.00 0.00 1.31 0.00 0.00 55.95 57.04 2fhm s SER 87 Cb -0.10 0.22 0.05 0.00 0.21 0.00 0.00 66.02 66.40 2fhm s SER 87 CO 0.34 -0.55 -0.05 -0.63 0.41 0.00 0.00 173.24 172.76 2fhm s ILE 88 N -3.08 1.22 0.30 1.44 1.01 -1.26 -1.46 121.20 119.37 2fhm s ILE 88 Ca -0.01 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.51 2fhm s ILE 88 Cb 0.02 -1.46 -0.10 0.00 0.01 0.00 0.00 42.46 40.93 2fhm s ILE 88 CO -0.07 0.02 1.29 -0.69 0.00 0.00 0.00 174.94 175.49 2fhm s VAL 89 N 1.56 2.90 0.00 2.92 1.01 -0.16 -4.92 120.40 123.71 2fhm s VAL 89 Ca -0.02 0.87 0.00 0.00 0.00 0.00 0.00 61.98 62.83 2fhm s VAL 89 Cb -0.17 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2fhm s VAL 89 CO -0.07 0.19 0.00 0.00 0.00 0.00 0.00 175.10 175.22 2fhm n TYR 90 N 1.24 0.00 -1.19 5.22 9.36 -1.26 -4.80 117.16 125.74 2fhm n TYR 90 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 2fhm n TYR 90 Cb 0.42 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.13 2fhm n TYR 90 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51